3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine

C19H19F3N2OS — CID 69142923

IUPAC3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine
SMILESCOc1cccc(CN2C(C)=C(N)SC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3N2OS/c1-12-17(23)26-18(14-6-8-15(9-7-14)19(20,21)22)24(12)11-13-4-3-5-16(10-13)25-2/h3-10,18H,11,23H2,1-2H3
InChIKeyWVAJBTJGEMPHKT-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.11
Rot. Bonds4

About 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine

3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine (PubChem CID 69142923) has the molecular formula C19H19F3N2OS and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine
PubChem CID69142923
Molecular FormulaC19H19F3N2OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine
SMILESCOc1cccc(CN2C(C)=C(N)SC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H19F3N2OS/c1-12-17(23)26-18(14-6-8-15(9-7-14)19(20,21)22)24(12)11-13-4-3-5-16(10-13)25-2/h3-10,18H,11,23H2,1-2H3
InChIKeyWVAJBTJGEMPHKT-UHFFFAOYSA-N
XLogP5.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine (CID 69142923) is 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine is COc1cccc(CN2C(C)=C(N)SC2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine?
The InChIKey is WVAJBTJGEMPHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2OS/c1-12-17(23)26-18(14-6-8-15(9-7-14)19(20,21)22)24(12)11-13-4-3-5-16(10-13)25-2/h3-10,18H,11,23H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine?
3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine has a molecular weight of 380.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-amine is sourced from PubChem (CID 69142923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).